2-(3-methylbut-2-enoxy)pyrazine

C9H12N2O — CID 139023266

IUPAC2-(3-methylbut-2-enoxy)pyrazine
SMILESCC(C)=CCOc1cnccn1
InChIInChI=1S/C9H12N2O/c1-8(2)3-6-12-9-7-10-4-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyFYCLGBBFHGLWAA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-methylbut-2-enoxy)pyrazine

2-(3-methylbut-2-enoxy)pyrazine (PubChem CID 139023266) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)pyrazine.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)pyrazine
PubChem CID139023266
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(3-methylbut-2-enoxy)pyrazine
SMILESCC(C)=CCOc1cnccn1
InChIInChI=1S/C9H12N2O/c1-8(2)3-6-12-9-7-10-4-5-11-9/h3-5,7H,6H2,1-2H3
InChIKeyFYCLGBBFHGLWAA-UHFFFAOYSA-N
XLogP1.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3-methylbut-2-enoxy)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enoxy)pyrazine?
The IUPAC name of 2-(3-methylbut-2-enoxy)pyrazine (CID 139023266) is 2-(3-methylbut-2-enoxy)pyrazine.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)pyrazine?
The canonical SMILES for 2-(3-methylbut-2-enoxy)pyrazine is CC(C)=CCOc1cnccn1.
What is the InChIKey of 2-(3-methylbut-2-enoxy)pyrazine?
The InChIKey is FYCLGBBFHGLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(2)3-6-12-9-7-10-4-5-11-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)pyrazine?
2-(3-methylbut-2-enoxy)pyrazine has a molecular weight of 164.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxy)pyrazine is sourced from PubChem (CID 139023266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).